USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 517 hydrogens (19 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 31 HIS HD1 : A 31 HIS ND1 : A 801 ZNZN :(H bumps) USER MOD NoAdj-H: C 4 MLY H2 : C 4 MLY N : C 3 THR C :(H bumps) USER MOD NoAdj-H: C 4 MLY H : C 4 MLY N : C 3 THR C :(H bumps) USER MOD Set 1.1: A 47 THR OG1 : rot 82:sc= 0.414 USER MOD Set 1.2: A 52 GLN : amide:sc= 1.19 K(o=1.6,f=0.96) USER MOD Set 2.1: A 28 CYS SG : rot -101:sc= -1.05! USER MOD Set 2.2: A 30 GLN : amide:sc= -2.09! K(o=-2.9!,f=-6.4) USER MOD Set 2.3: A 46 TYR OH : rot -162:sc= 0.267 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl -173:sc= 0 (180deg=-0.0628) USER MOD Single : A -2 HIS : no HD1:sc= -0.0578 X(o=-0.058,f=-0.48) USER MOD Single : A -3 GLY N :NH3+ -99:sc= 0.0281 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0.0861 K(o=0.086,f=-0.7) USER MOD Single : A 17 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.53) USER MOD Single : A 20 MET CE :methyl 139:sc= -2.6 (180deg=-7.32!) USER MOD Single : A 22 GLN : amide:sc= -0.678! C(o=-0.68!,f=-1.8!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -148:sc= -0.433 (180deg=-1.22) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 45 LYS NZ :NH3+ -138:sc= 1.26 (180deg=0.467) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 ALA N :NH3+ 178:sc= 0.848 (180deg=0.844) USER MOD Single : C 3 THR OG1 : rot 180:sc= 0 USER MOD Single : C 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 6 THR OG1 : rot 137:sc= 1.2 USER MOD Single : C 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 10 SER OG : rot 180:sc= 0 USER MOD Single : C 11 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 5.838 -1.717 2.697 1.00 0.00 N ATOM 2 CA GLY A -3 5.439 -2.329 1.403 1.00 0.00 C ATOM 3 C GLY A -3 6.298 -3.540 1.042 1.00 0.00 C ATOM 4 O GLY A -3 7.445 -3.647 1.477 1.00 0.00 O ATOM 0 H1 GLY A -3 5.200 -2.048 3.449 1.00 0.00 H new ATOM 0 H2 GLY A -3 6.814 -1.993 2.925 1.00 0.00 H new ATOM 0 H3 GLY A -3 5.779 -0.681 2.624 1.00 0.00 H new ATOM 0 HA2 GLY A -3 4.393 -2.631 1.454 1.00 0.00 H new ATOM 0 HA3 GLY A -3 5.517 -1.583 0.612 1.00 0.00 H new ATOM 10 N HIS A -2 5.759 -4.464 0.235 1.00 0.00 N ATOM 11 CA HIS A -2 6.425 -5.735 -0.131 1.00 0.00 C ATOM 12 C HIS A -2 7.591 -5.584 -1.128 1.00 0.00 C ATOM 13 O HIS A -2 8.495 -6.420 -1.148 1.00 0.00 O ATOM 14 CB HIS A -2 5.381 -6.694 -0.728 1.00 0.00 C ATOM 15 CG HIS A -2 4.314 -7.136 0.247 1.00 0.00 C ATOM 16 ND1 HIS A -2 4.456 -8.160 1.186 1.00 0.00 N ATOM 17 CD2 HIS A -2 3.060 -6.607 0.357 1.00 0.00 C ATOM 18 CE1 HIS A -2 3.288 -8.215 1.854 1.00 0.00 C ATOM 19 NE2 HIS A -2 2.431 -7.298 1.369 1.00 0.00 N ATOM 0 H HIS A -2 4.838 -4.355 -0.190 1.00 0.00 H new ATOM 0 HA HIS A -2 6.860 -6.124 0.790 1.00 0.00 H new ATOM 0 HB2 HIS A -2 4.902 -6.208 -1.577 1.00 0.00 H new ATOM 0 HB3 HIS A -2 5.893 -7.576 -1.113 1.00 0.00 H new ATOM 0 HD2 HIS A -2 2.643 -5.804 -0.233 1.00 0.00 H new ATOM 0 HE1 HIS A -2 3.070 -8.897 2.663 1.00 0.00 H new ATOM 0 HE2 HIS A -2 1.477 -7.141 1.695 1.00 0.00 H new ATOM 27 N MET A -1 7.562 -4.549 -1.977 1.00 0.00 N ATOM 28 CA MET A -1 8.479 -4.400 -3.115 1.00 0.00 C ATOM 29 C MET A -1 9.933 -4.067 -2.766 1.00 0.00 C ATOM 30 O MET A -1 10.841 -4.503 -3.470 1.00 0.00 O ATOM 31 CB MET A -1 7.939 -3.304 -4.061 1.00 0.00 C ATOM 32 CG MET A -1 7.513 -1.961 -3.426 1.00 0.00 C ATOM 33 SD MET A -1 5.921 -1.920 -2.545 1.00 0.00 S ATOM 34 CE MET A -1 4.757 -2.075 -3.932 1.00 0.00 C ATOM 0 H MET A -1 6.894 -3.783 -1.892 1.00 0.00 H new ATOM 0 HA MET A -1 8.508 -5.385 -3.581 1.00 0.00 H new ATOM 0 HB2 MET A -1 8.706 -3.095 -4.807 1.00 0.00 H new ATOM 0 HB3 MET A -1 7.080 -3.712 -4.593 1.00 0.00 H new ATOM 0 HG2 MET A -1 8.292 -1.656 -2.728 1.00 0.00 H new ATOM 0 HG3 MET A -1 7.481 -1.210 -4.215 1.00 0.00 H new ATOM 0 HE1 MET A -1 3.738 -1.941 -3.569 1.00 0.00 H new ATOM 0 HE2 MET A -1 4.979 -1.314 -4.680 1.00 0.00 H new ATOM 0 HE3 MET A -1 4.855 -3.063 -4.381 1.00 0.00 H new ATOM 44 N ASP A 0 10.163 -3.275 -1.716 1.00 0.00 N ATOM 45 CA ASP A 0 11.470 -2.674 -1.374 1.00 0.00 C ATOM 46 C ASP A 0 12.181 -1.931 -2.524 1.00 0.00 C ATOM 47 O ASP A 0 13.375 -1.651 -2.454 1.00 0.00 O ATOM 48 CB ASP A 0 12.421 -3.677 -0.705 1.00 0.00 C ATOM 49 CG ASP A 0 11.997 -4.141 0.701 1.00 0.00 C ATOM 50 OD1 ASP A 0 12.431 -5.240 1.123 1.00 0.00 O ATOM 51 OD2 ASP A 0 11.243 -3.419 1.400 1.00 0.00 O1- ATOM 0 H ASP A 0 9.428 -3.022 -1.056 1.00 0.00 H new ATOM 0 HA ASP A 0 11.208 -1.902 -0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 0 12.511 -4.553 -1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 0 13.411 -3.227 -0.639 1.00 0.00 H new ATOM 56 N ARG A 1 11.446 -1.640 -3.598 1.00 0.00 N ATOM 57 CA ARG A 1 11.823 -0.934 -4.853 1.00 0.00 C ATOM 58 C ARG A 1 12.960 -1.572 -5.668 1.00 0.00 C ATOM 59 O ARG A 1 13.260 -1.136 -6.779 1.00 0.00 O ATOM 60 CB ARG A 1 11.937 0.576 -4.553 1.00 0.00 C ATOM 61 CG ARG A 1 13.045 1.125 -3.640 1.00 0.00 C ATOM 62 CD ARG A 1 14.475 0.761 -4.033 1.00 0.00 C ATOM 63 NE ARG A 1 14.855 1.301 -5.354 1.00 0.00 N ATOM 64 CZ ARG A 1 15.879 0.919 -6.097 1.00 0.00 C ATOM 65 NH1 ARG A 1 16.700 -0.019 -5.717 1.00 0.00 N1+ ATOM 66 NH2 ARG A 1 16.099 1.480 -7.253 1.00 0.00 N ATOM 0 H ARG A 1 10.465 -1.917 -3.627 1.00 0.00 H new ATOM 0 HA ARG A 1 11.021 -1.061 -5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.034 1.085 -5.512 1.00 0.00 H new ATOM 0 HB3 ARG A 1 10.986 0.888 -4.122 1.00 0.00 H new ATOM 0 HG2 ARG A 1 12.962 2.211 -3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 1 12.865 0.766 -2.627 1.00 0.00 H new ATOM 0 HD2 ARG A 1 15.163 1.140 -3.278 1.00 0.00 H new ATOM 0 HD3 ARG A 1 14.580 -0.324 -4.044 1.00 0.00 H new ATOM 0 HE ARG A 1 14.267 2.044 -5.731 1.00 0.00 H new ATOM 0 HH11 ARG A 1 16.563 -0.484 -4.820 1.00 0.00 H new ATOM 0 HH12 ARG A 1 17.480 -0.288 -6.317 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.479 2.218 -7.588 1.00 0.00 H new ATOM 0 HH22 ARG A 1 16.891 1.181 -7.822 1.00 0.00 H new ATOM 80 N TYR A 2 13.527 -2.647 -5.137 1.00 0.00 N ATOM 81 CA TYR A 2 14.472 -3.566 -5.754 1.00 0.00 C ATOM 82 C TYR A 2 13.776 -4.700 -6.526 1.00 0.00 C ATOM 83 O TYR A 2 12.706 -5.174 -6.135 1.00 0.00 O ATOM 84 CB TYR A 2 15.282 -4.200 -4.621 1.00 0.00 C ATOM 85 CG TYR A 2 16.460 -3.370 -4.140 1.00 0.00 C ATOM 86 CD1 TYR A 2 16.418 -2.727 -2.888 1.00 0.00 C ATOM 87 CD2 TYR A 2 17.608 -3.250 -4.950 1.00 0.00 C ATOM 88 CE1 TYR A 2 17.510 -1.951 -2.450 1.00 0.00 C ATOM 89 CE2 TYR A 2 18.703 -2.479 -4.515 1.00 0.00 C ATOM 90 CZ TYR A 2 18.659 -1.826 -3.264 1.00 0.00 C ATOM 91 OH TYR A 2 19.720 -1.080 -2.853 1.00 0.00 O ATOM 0 H TYR A 2 13.318 -2.922 -4.177 1.00 0.00 H new ATOM 0 HA TYR A 2 15.085 -3.009 -6.463 1.00 0.00 H new ATOM 0 HB2 TYR A 2 14.617 -4.385 -3.777 1.00 0.00 H new ATOM 0 HB3 TYR A 2 15.651 -5.170 -4.955 1.00 0.00 H new ATOM 0 HD1 TYR A 2 15.545 -2.829 -2.260 1.00 0.00 H new ATOM 0 HD2 TYR A 2 17.647 -3.751 -5.906 1.00 0.00 H new ATOM 0 HE1 TYR A 2 17.469 -1.452 -1.493 1.00 0.00 H new ATOM 0 HE2 TYR A 2 19.579 -2.387 -5.140 1.00 0.00 H new ATOM 0 HH TYR A 2 20.422 -1.106 -3.536 1.00 0.00 H new ATOM 101 N ASP A 3 14.413 -5.176 -7.599 1.00 0.00 N ATOM 102 CA ASP A 3 14.002 -6.401 -8.301 1.00 0.00 C ATOM 103 C ASP A 3 14.781 -7.607 -7.734 1.00 0.00 C ATOM 104 O ASP A 3 16.001 -7.700 -7.887 1.00 0.00 O ATOM 105 CB ASP A 3 14.199 -6.251 -9.816 1.00 0.00 C ATOM 106 CG ASP A 3 13.411 -5.087 -10.439 1.00 0.00 C ATOM 107 OD1 ASP A 3 13.952 -4.425 -11.356 1.00 0.00 O ATOM 108 OD2 ASP A 3 12.252 -4.827 -10.032 1.00 0.00 O1- ATOM 0 H ASP A 3 15.230 -4.724 -8.009 1.00 0.00 H new ATOM 0 HA ASP A 3 12.939 -6.575 -8.135 1.00 0.00 H new ATOM 0 HB2 ASP A 3 15.260 -6.108 -10.021 1.00 0.00 H new ATOM 0 HB3 ASP A 3 13.902 -7.179 -10.304 1.00 0.00 H new ATOM 113 N PHE A 4 14.070 -8.538 -7.089 1.00 0.00 N ATOM 114 CA PHE A 4 14.612 -9.730 -6.434 1.00 0.00 C ATOM 115 C PHE A 4 13.863 -11.008 -6.831 1.00 0.00 C ATOM 116 O PHE A 4 12.691 -10.986 -7.205 1.00 0.00 O ATOM 117 CB PHE A 4 14.540 -9.531 -4.909 1.00 0.00 C ATOM 118 CG PHE A 4 15.491 -8.533 -4.262 1.00 0.00 C ATOM 119 CD1 PHE A 4 15.028 -7.708 -3.217 1.00 0.00 C ATOM 120 CD2 PHE A 4 16.837 -8.429 -4.676 1.00 0.00 C ATOM 121 CE1 PHE A 4 15.902 -6.811 -2.576 1.00 0.00 C ATOM 122 CE2 PHE A 4 17.708 -7.525 -4.039 1.00 0.00 C ATOM 123 CZ PHE A 4 17.246 -6.725 -2.982 1.00 0.00 C ATOM 0 H PHE A 4 13.055 -8.477 -7.006 1.00 0.00 H new ATOM 0 HA PHE A 4 15.645 -9.856 -6.758 1.00 0.00 H new ATOM 0 HB2 PHE A 4 13.523 -9.228 -4.662 1.00 0.00 H new ATOM 0 HB3 PHE A 4 14.707 -10.501 -4.440 1.00 0.00 H new ATOM 0 HD1 PHE A 4 13.995 -7.765 -2.906 1.00 0.00 H new ATOM 0 HD2 PHE A 4 17.200 -9.046 -5.485 1.00 0.00 H new ATOM 0 HE1 PHE A 4 15.541 -6.188 -1.771 1.00 0.00 H new ATOM 0 HE2 PHE A 4 18.735 -7.447 -4.364 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.920 -6.046 -2.482 1.00 0.00 H new ATOM 133 N GLU A 5 14.548 -12.146 -6.694 1.00 0.00 N ATOM 134 CA GLU A 5 14.004 -13.488 -6.900 1.00 0.00 C ATOM 135 C GLU A 5 12.998 -13.760 -5.759 1.00 0.00 C ATOM 136 O GLU A 5 13.370 -14.048 -4.619 1.00 0.00 O ATOM 137 CB GLU A 5 15.189 -14.495 -6.937 1.00 0.00 C ATOM 138 CG GLU A 5 16.435 -14.092 -7.749 1.00 0.00 C ATOM 139 CD GLU A 5 16.184 -14.158 -9.259 1.00 0.00 C ATOM 140 OE1 GLU A 5 16.365 -13.145 -9.970 1.00 0.00 O ATOM 141 OE2 GLU A 5 15.792 -15.238 -9.759 1.00 0.00 O1- ATOM 0 H GLU A 5 15.532 -12.157 -6.427 1.00 0.00 H new ATOM 0 HA GLU A 5 13.471 -13.592 -7.845 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.502 -14.685 -5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.817 -15.439 -7.336 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.734 -13.080 -7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.264 -14.750 -7.491 1.00 0.00 H new ATOM 148 N VAL A 6 11.702 -13.642 -6.080 1.00 0.00 N ATOM 149 CA VAL A 6 10.585 -13.627 -5.112 1.00 0.00 C ATOM 150 C VAL A 6 9.478 -14.549 -5.560 1.00 0.00 C ATOM 151 O VAL A 6 8.762 -14.233 -6.495 1.00 0.00 O ATOM 152 CB VAL A 6 10.079 -12.177 -4.932 1.00 0.00 C ATOM 153 CG1 VAL A 6 8.758 -12.071 -4.156 1.00 0.00 C ATOM 154 CG2 VAL A 6 11.097 -11.313 -4.181 1.00 0.00 C ATOM 0 H VAL A 6 11.388 -13.552 -7.046 1.00 0.00 H new ATOM 0 HA VAL A 6 10.937 -13.992 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 6 9.926 -11.824 -5.952 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.469 -11.023 -4.071 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.980 -12.621 -4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.886 -12.494 -3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.706 -10.301 -4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.278 -11.739 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 6 12.032 -11.284 -4.740 1.00 0.00 H new ATOM 164 N VAL A 7 9.286 -15.681 -4.900 1.00 0.00 N ATOM 165 CA VAL A 7 8.241 -16.636 -5.302 1.00 0.00 C ATOM 166 C VAL A 7 6.872 -16.087 -4.882 1.00 0.00 C ATOM 167 O VAL A 7 6.455 -16.184 -3.731 1.00 0.00 O ATOM 168 CB VAL A 7 8.484 -18.034 -4.708 1.00 0.00 C ATOM 169 CG1 VAL A 7 7.351 -18.998 -5.055 1.00 0.00 C ATOM 170 CG2 VAL A 7 9.743 -18.675 -5.297 1.00 0.00 C ATOM 0 H VAL A 7 9.832 -15.968 -4.087 1.00 0.00 H new ATOM 0 HA VAL A 7 8.270 -16.750 -6.386 1.00 0.00 H new ATOM 0 HB VAL A 7 8.567 -17.882 -3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.558 -19.975 -4.618 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.412 -18.614 -4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.274 -19.094 -6.138 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.888 -19.662 -4.858 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.631 -18.771 -6.377 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.607 -18.049 -5.076 1.00 0.00 H new ATOM 180 N ARG A 8 6.155 -15.505 -5.839 1.00 0.00 N ATOM 181 CA ARG A 8 4.819 -14.933 -5.670 1.00 0.00 C ATOM 182 C ARG A 8 3.900 -15.498 -6.726 1.00 0.00 C ATOM 183 O ARG A 8 3.822 -14.966 -7.828 1.00 0.00 O ATOM 184 CB ARG A 8 4.896 -13.396 -5.737 1.00 0.00 C ATOM 185 CG ARG A 8 4.775 -12.754 -4.357 1.00 0.00 C ATOM 186 CD ARG A 8 4.919 -11.219 -4.544 1.00 0.00 C ATOM 187 NE ARG A 8 4.047 -10.429 -3.636 1.00 0.00 N ATOM 188 CZ ARG A 8 4.178 -10.250 -2.333 1.00 0.00 C ATOM 189 NH1 ARG A 8 5.158 -10.758 -1.642 1.00 0.00 N1+ ATOM 190 NH2 ARG A 8 3.303 -9.537 -1.683 1.00 0.00 N ATOM 0 H ARG A 8 6.502 -15.414 -6.794 1.00 0.00 H new ATOM 0 HA ARG A 8 4.416 -15.198 -4.693 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.841 -13.100 -6.192 1.00 0.00 H new ATOM 0 HB3 ARG A 8 4.101 -13.021 -6.382 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.814 -12.997 -3.904 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.548 -13.133 -3.688 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.958 -10.936 -4.375 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.683 -10.963 -5.577 1.00 0.00 H new ATOM 0 HE ARG A 8 3.249 -9.968 -4.072 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.869 -11.323 -2.105 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.214 -10.590 -0.637 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.517 -9.117 -2.180 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.404 -9.399 -0.677 1.00 0.00 H new ATOM 204 N CYS A 9 3.265 -16.609 -6.382 1.00 0.00 N ATOM 205 CA CYS A 9 2.179 -17.216 -7.166 1.00 0.00 C ATOM 206 C CYS A 9 0.796 -16.722 -6.711 1.00 0.00 C ATOM 207 O CYS A 9 0.622 -16.360 -5.552 1.00 0.00 O ATOM 208 CB CYS A 9 2.293 -18.747 -7.071 1.00 0.00 C ATOM 209 SG CYS A 9 1.118 -19.606 -8.174 1.00 0.00 S ATOM 0 H CYS A 9 3.489 -17.130 -5.534 1.00 0.00 H new ATOM 0 HA CYS A 9 2.281 -16.911 -8.207 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.310 -19.049 -7.323 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.114 -19.058 -6.042 1.00 0.00 H new ATOM 214 N ILE A 10 -0.226 -16.873 -7.569 1.00 0.00 N ATOM 215 CA ILE A 10 -1.662 -16.683 -7.239 1.00 0.00 C ATOM 216 C ILE A 10 -2.131 -17.523 -6.044 1.00 0.00 C ATOM 217 O ILE A 10 -3.176 -17.278 -5.442 1.00 0.00 O ATOM 218 CB ILE A 10 -2.571 -17.042 -8.435 1.00 0.00 C ATOM 219 CG1 ILE A 10 -2.356 -18.408 -9.134 1.00 0.00 C ATOM 220 CG2 ILE A 10 -2.397 -15.929 -9.460 1.00 0.00 C ATOM 221 CD1 ILE A 10 -2.752 -19.667 -8.351 1.00 0.00 C ATOM 0 H ILE A 10 -0.079 -17.139 -8.543 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.746 -15.626 -6.986 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.574 -17.139 -8.018 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.917 -18.401 -10.069 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.301 -18.491 -9.396 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.021 -16.135 -10.330 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.693 -14.978 -9.018 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.352 -15.877 -9.767 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.549 -20.551 -8.956 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.174 -19.719 -7.428 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.815 -19.627 -8.111 1.00 0.00 H new ATOM 233 N CYS A 11 -1.316 -18.522 -5.719 1.00 0.00 N ATOM 234 CA CYS A 11 -1.483 -19.431 -4.602 1.00 0.00 C ATOM 235 C CYS A 11 -1.213 -18.709 -3.251 1.00 0.00 C ATOM 236 O CYS A 11 -1.530 -19.253 -2.195 1.00 0.00 O ATOM 237 CB CYS A 11 -0.481 -20.588 -4.814 1.00 0.00 C ATOM 238 SG CYS A 11 -0.847 -21.985 -5.866 1.00 0.00 S ATOM 0 H CYS A 11 -0.476 -18.726 -6.261 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.506 -19.805 -4.559 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.437 -20.141 -5.195 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.254 -20.990 -3.827 1.00 0.00 H new ATOM 243 N GLU A 12 -0.578 -17.517 -3.279 1.00 0.00 N ATOM 244 CA GLU A 12 -0.078 -16.737 -2.132 1.00 0.00 C ATOM 245 C GLU A 12 0.791 -17.561 -1.177 1.00 0.00 C ATOM 246 O GLU A 12 0.761 -17.432 0.049 1.00 0.00 O ATOM 247 CB GLU A 12 -1.223 -15.949 -1.475 1.00 0.00 C ATOM 248 CG GLU A 12 -1.789 -14.860 -2.404 1.00 0.00 C ATOM 249 CD GLU A 12 -2.959 -14.078 -1.772 1.00 0.00 C ATOM 250 OE1 GLU A 12 -2.957 -13.824 -0.541 1.00 0.00 O ATOM 251 OE2 GLU A 12 -3.903 -13.703 -2.512 1.00 0.00 O1- ATOM 0 H GLU A 12 -0.390 -17.045 -4.164 1.00 0.00 H new ATOM 0 HA GLU A 12 0.621 -15.987 -2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.021 -16.637 -1.196 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.863 -15.488 -0.555 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.993 -14.163 -2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.127 -15.321 -3.332 1.00 0.00 H new ATOM 258 N VAL A 13 1.577 -18.435 -1.802 1.00 0.00 N ATOM 259 CA VAL A 13 2.551 -19.325 -1.193 1.00 0.00 C ATOM 260 C VAL A 13 3.901 -19.117 -1.872 1.00 0.00 C ATOM 261 O VAL A 13 3.985 -19.005 -3.095 1.00 0.00 O ATOM 262 CB VAL A 13 2.020 -20.771 -1.251 1.00 0.00 C ATOM 263 CG1 VAL A 13 2.302 -21.487 -2.574 1.00 0.00 C ATOM 264 CG2 VAL A 13 2.550 -21.603 -0.082 1.00 0.00 C ATOM 0 H VAL A 13 1.545 -18.544 -2.816 1.00 0.00 H new ATOM 0 HA VAL A 13 2.703 -19.103 -0.137 1.00 0.00 H new ATOM 0 HB VAL A 13 0.937 -20.680 -1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.897 -22.498 -2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.832 -20.940 -3.391 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.378 -21.534 -2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.158 -22.618 -0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.639 -21.631 -0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.231 -21.154 0.858 1.00 0.00 H new ATOM 274 N GLN A 14 4.964 -19.112 -1.081 1.00 0.00 N ATOM 275 CA GLN A 14 6.352 -19.138 -1.573 1.00 0.00 C ATOM 276 C GLN A 14 6.872 -20.589 -1.817 1.00 0.00 C ATOM 277 O GLN A 14 8.064 -20.799 -2.043 1.00 0.00 O ATOM 278 CB GLN A 14 7.273 -18.363 -0.619 1.00 0.00 C ATOM 279 CG GLN A 14 7.116 -16.831 -0.585 1.00 0.00 C ATOM 280 CD GLN A 14 5.697 -16.351 -0.288 1.00 0.00 C ATOM 281 OE1 GLN A 14 5.267 -16.269 0.855 1.00 0.00 O ATOM 282 NE2 GLN A 14 4.911 -16.019 -1.290 1.00 0.00 N ATOM 0 H GLN A 14 4.896 -19.090 -0.064 1.00 0.00 H new ATOM 0 HA GLN A 14 6.364 -18.643 -2.544 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.112 -18.742 0.390 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.305 -18.592 -0.884 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.790 -16.425 0.170 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.431 -16.424 -1.546 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.253 -16.081 -2.249 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.960 -15.699 -1.108 1.00 0.00 H new ATOM 291 N GLU A 15 5.995 -21.599 -1.724 1.00 0.00 N ATOM 292 CA GLU A 15 6.273 -23.026 -1.918 1.00 0.00 C ATOM 293 C GLU A 15 6.784 -23.287 -3.332 1.00 0.00 C ATOM 294 O GLU A 15 6.425 -22.578 -4.265 1.00 0.00 O ATOM 295 CB GLU A 15 5.027 -23.881 -1.596 1.00 0.00 C ATOM 296 CG GLU A 15 5.204 -25.403 -1.672 1.00 0.00 C ATOM 297 CD GLU A 15 6.297 -25.909 -0.713 1.00 0.00 C ATOM 298 OE1 GLU A 15 5.973 -26.274 0.443 1.00 0.00 O ATOM 299 OE2 GLU A 15 7.481 -25.940 -1.121 1.00 0.00 O1- ATOM 0 H GLU A 15 5.015 -21.429 -1.498 1.00 0.00 H new ATOM 0 HA GLU A 15 7.058 -23.321 -1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.689 -23.626 -0.592 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.230 -23.595 -2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.259 -25.890 -1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.459 -25.687 -2.693 1.00 0.00 H new ATOM 306 N GLU A 16 7.629 -24.292 -3.500 1.00 0.00 N ATOM 307 CA GLU A 16 8.099 -24.781 -4.767 1.00 0.00 C ATOM 308 C GLU A 16 7.533 -26.156 -5.114 1.00 0.00 C ATOM 309 O GLU A 16 7.749 -27.185 -4.467 1.00 0.00 O ATOM 310 CB GLU A 16 9.594 -24.766 -4.962 1.00 0.00 C ATOM 311 CG GLU A 16 10.356 -23.739 -4.124 1.00 0.00 C ATOM 312 CD GLU A 16 10.906 -24.279 -2.786 1.00 0.00 C ATOM 313 OE1 GLU A 16 10.891 -23.528 -1.781 1.00 0.00 O ATOM 314 OE2 GLU A 16 11.369 -25.445 -2.716 1.00 0.00 O1- ATOM 0 H GLU A 16 8.019 -24.808 -2.711 1.00 0.00 H new ATOM 0 HA GLU A 16 7.706 -24.045 -5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.983 -25.758 -4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.804 -24.578 -6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.188 -23.354 -4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.695 -22.897 -3.916 1.00 0.00 H new ATOM 321 N ASN A 17 6.834 -26.095 -6.212 1.00 0.00 N ATOM 322 CA ASN A 17 6.318 -27.202 -7.010 1.00 0.00 C ATOM 323 C ASN A 17 7.452 -27.879 -7.821 1.00 0.00 C ATOM 324 O ASN A 17 8.605 -27.443 -7.836 1.00 0.00 O ATOM 325 CB ASN A 17 5.197 -26.727 -7.961 1.00 0.00 C ATOM 326 CG ASN A 17 3.844 -26.471 -7.319 1.00 0.00 C ATOM 327 OD1 ASN A 17 3.733 -26.093 -6.163 1.00 0.00 O ATOM 328 ND2 ASN A 17 2.764 -26.659 -8.050 1.00 0.00 N ATOM 0 H ASN A 17 6.581 -25.194 -6.618 1.00 0.00 H new ATOM 0 HA ASN A 17 5.899 -27.935 -6.321 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.526 -25.809 -8.448 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.070 -27.475 -8.743 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.841 -26.489 -7.650 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.851 -26.975 -9.016 1.00 0.00 H new ATOM 335 N ASP A 18 7.093 -28.916 -8.581 1.00 0.00 N ATOM 336 CA ASP A 18 7.951 -29.570 -9.589 1.00 0.00 C ATOM 337 C ASP A 18 8.319 -28.650 -10.775 1.00 0.00 C ATOM 338 O ASP A 18 9.266 -28.949 -11.504 1.00 0.00 O ATOM 339 CB ASP A 18 7.243 -30.847 -10.071 1.00 0.00 C ATOM 340 CG ASP A 18 8.130 -31.740 -10.960 1.00 0.00 C ATOM 341 OD1 ASP A 18 9.260 -32.100 -10.542 1.00 0.00 O ATOM 342 OD2 ASP A 18 7.694 -32.095 -12.082 1.00 0.00 O1- ATOM 0 H ASP A 18 6.169 -29.342 -8.515 1.00 0.00 H new ATOM 0 HA ASP A 18 8.902 -29.816 -9.117 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.915 -31.421 -9.204 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.347 -30.569 -10.627 1.00 0.00 H new ATOM 347 N PHE A 19 7.626 -27.510 -10.962 1.00 0.00 N ATOM 348 CA PHE A 19 8.015 -26.482 -11.927 1.00 0.00 C ATOM 349 C PHE A 19 7.794 -25.040 -11.428 1.00 0.00 C ATOM 350 O PHE A 19 6.728 -24.746 -10.891 1.00 0.00 O ATOM 351 CB PHE A 19 7.291 -26.739 -13.268 1.00 0.00 C ATOM 352 CG PHE A 19 7.628 -25.742 -14.335 1.00 0.00 C ATOM 353 CD1 PHE A 19 6.607 -25.108 -15.055 1.00 0.00 C ATOM 354 CD2 PHE A 19 8.981 -25.461 -14.605 1.00 0.00 C ATOM 355 CE1 PHE A 19 6.949 -24.200 -16.061 1.00 0.00 C ATOM 356 CE2 PHE A 19 9.322 -24.534 -15.589 1.00 0.00 C ATOM 357 CZ PHE A 19 8.299 -23.937 -16.336 1.00 0.00 C ATOM 0 H PHE A 19 6.778 -27.282 -10.442 1.00 0.00 H new ATOM 0 HA PHE A 19 9.093 -26.563 -12.069 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.546 -27.738 -13.623 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.214 -26.726 -13.098 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.571 -25.318 -14.836 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.757 -25.965 -14.048 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.175 -23.702 -16.626 1.00 0.00 H new ATOM 0 HE2 PHE A 19 10.356 -24.281 -15.772 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.554 -23.261 -17.139 1.00 0.00 H new ATOM 367 N MET A 20 8.759 -24.127 -11.660 1.00 0.00 N ATOM 368 CA MET A 20 8.636 -22.670 -11.448 1.00 0.00 C ATOM 369 C MET A 20 9.256 -21.837 -12.581 1.00 0.00 C ATOM 370 O MET A 20 10.239 -22.268 -13.186 1.00 0.00 O ATOM 371 CB MET A 20 9.227 -22.206 -10.103 1.00 0.00 C ATOM 372 CG MET A 20 8.900 -23.131 -8.946 1.00 0.00 C ATOM 373 SD MET A 20 9.138 -22.353 -7.340 1.00 0.00 S ATOM 374 CE MET A 20 7.595 -21.453 -7.236 1.00 0.00 C ATOM 0 H MET A 20 9.678 -24.393 -12.013 1.00 0.00 H new ATOM 0 HA MET A 20 7.560 -22.493 -11.438 1.00 0.00 H new ATOM 0 HB2 MET A 20 10.310 -22.127 -10.199 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.853 -21.208 -9.876 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.866 -23.463 -9.034 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.527 -24.020 -9.010 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.201 -21.522 -6.222 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.766 -20.406 -7.488 1.00 0.00 H new ATOM 0 HE3 MET A 20 6.876 -21.881 -7.935 1.00 0.00 H new ATOM 384 N ILE A 21 8.727 -20.627 -12.808 1.00 0.00 N ATOM 385 CA ILE A 21 9.173 -19.652 -13.843 1.00 0.00 C ATOM 386 C ILE A 21 9.328 -18.286 -13.203 1.00 0.00 C ATOM 387 O ILE A 21 8.656 -18.037 -12.212 1.00 0.00 O ATOM 388 CB ILE A 21 8.184 -19.486 -15.030 1.00 0.00 C ATOM 389 CG1 ILE A 21 7.663 -20.828 -15.514 1.00 0.00 C ATOM 390 CG2 ILE A 21 8.670 -18.804 -16.347 1.00 0.00 C ATOM 391 CD1 ILE A 21 6.234 -20.641 -15.929 1.00 0.00 C ATOM 0 H ILE A 21 7.943 -20.275 -12.259 1.00 0.00 H new ATOM 0 HA ILE A 21 10.108 -20.048 -14.239 1.00 0.00 H new ATOM 0 HB ILE A 21 7.461 -18.824 -14.553 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.260 -21.190 -16.351 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.737 -21.574 -14.723 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.850 -18.773 -17.065 1.00 0.00 H new ATOM 0 HG22 ILE A 21 9.001 -17.788 -16.130 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.499 -19.373 -16.767 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.831 -21.590 -16.282 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.650 -20.293 -15.077 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.181 -19.903 -16.730 1.00 0.00 H new ATOM 403 N GLN A 22 10.123 -17.393 -13.786 1.00 0.00 N ATOM 404 CA GLN A 22 10.325 -16.022 -13.300 1.00 0.00 C ATOM 405 C GLN A 22 9.669 -14.994 -14.225 1.00 0.00 C ATOM 406 O GLN A 22 9.866 -15.040 -15.440 1.00 0.00 O ATOM 407 CB GLN A 22 11.839 -15.763 -13.173 1.00 0.00 C ATOM 408 CG GLN A 22 12.186 -14.273 -12.992 1.00 0.00 C ATOM 409 CD GLN A 22 13.599 -14.055 -12.456 1.00 0.00 C ATOM 410 OE1 GLN A 22 14.575 -14.126 -13.181 1.00 0.00 O ATOM 411 NE2 GLN A 22 13.791 -13.775 -11.193 1.00 0.00 N ATOM 0 H GLN A 22 10.659 -17.602 -14.628 1.00 0.00 H new ATOM 0 HA GLN A 22 9.849 -15.915 -12.325 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.227 -16.326 -12.324 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.342 -16.141 -14.063 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.083 -13.762 -13.949 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.469 -13.818 -12.309 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.995 -13.708 -10.559 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.737 -13.623 -10.842 1.00 0.00 H new ATOM 420 N CYS A 23 8.981 -14.005 -13.651 1.00 0.00 N ATOM 421 CA CYS A 23 8.445 -12.852 -14.359 1.00 0.00 C ATOM 422 C CYS A 23 9.569 -11.990 -14.905 1.00 0.00 C ATOM 423 O CYS A 23 10.478 -11.609 -14.172 1.00 0.00 O ATOM 424 CB CYS A 23 7.609 -12.028 -13.378 1.00 0.00 C ATOM 425 SG CYS A 23 6.871 -10.527 -14.080 1.00 0.00 S ATOM 0 H CYS A 23 8.778 -13.988 -12.651 1.00 0.00 H new ATOM 0 HA CYS A 23 7.834 -13.194 -15.194 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.811 -12.658 -12.984 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.238 -11.746 -12.534 1.00 0.00 H new ATOM 430 N GLU A 24 9.461 -11.602 -16.166 1.00 0.00 N ATOM 431 CA GLU A 24 10.461 -10.735 -16.799 1.00 0.00 C ATOM 432 C GLU A 24 10.396 -9.270 -16.307 1.00 0.00 C ATOM 433 O GLU A 24 11.369 -8.531 -16.450 1.00 0.00 O ATOM 434 CB GLU A 24 10.295 -10.859 -18.321 1.00 0.00 C ATOM 435 CG GLU A 24 8.948 -10.261 -18.791 1.00 0.00 C ATOM 436 CD GLU A 24 9.017 -8.824 -19.361 1.00 0.00 C ATOM 437 OE1 GLU A 24 10.102 -8.353 -19.782 1.00 0.00 O ATOM 438 OE2 GLU A 24 7.958 -8.154 -19.398 1.00 0.00 O1- ATOM 0 H GLU A 24 8.691 -11.871 -16.779 1.00 0.00 H new ATOM 0 HA GLU A 24 11.459 -11.065 -16.510 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.117 -10.347 -18.821 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.350 -11.908 -18.611 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.527 -10.916 -19.554 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.255 -10.266 -17.949 1.00 0.00 H new ATOM 445 N GLU A 25 9.273 -8.854 -15.701 1.00 0.00 N ATOM 446 CA GLU A 25 9.042 -7.451 -15.309 1.00 0.00 C ATOM 447 C GLU A 25 9.511 -7.137 -13.892 1.00 0.00 C ATOM 448 O GLU A 25 10.300 -6.215 -13.691 1.00 0.00 O ATOM 449 CB GLU A 25 7.553 -7.135 -15.468 1.00 0.00 C ATOM 450 CG GLU A 25 7.083 -5.689 -15.233 1.00 0.00 C ATOM 451 CD GLU A 25 7.993 -4.591 -15.828 1.00 0.00 C ATOM 452 OE1 GLU A 25 8.462 -4.725 -16.985 1.00 0.00 O ATOM 453 OE2 GLU A 25 8.240 -3.571 -15.138 1.00 0.00 O1- ATOM 0 H GLU A 25 8.500 -9.478 -15.469 1.00 0.00 H new ATOM 0 HA GLU A 25 9.639 -6.818 -15.966 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.259 -7.420 -16.478 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.002 -7.779 -14.783 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.084 -5.577 -15.654 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.997 -5.523 -14.159 1.00 0.00 H new ATOM 460 N CYS A 26 9.065 -7.948 -12.926 1.00 0.00 N ATOM 461 CA CYS A 26 9.375 -7.775 -11.513 1.00 0.00 C ATOM 462 C CYS A 26 10.218 -8.886 -10.866 1.00 0.00 C ATOM 463 O CYS A 26 10.424 -8.881 -9.652 1.00 0.00 O ATOM 464 CB CYS A 26 8.089 -7.611 -10.730 1.00 0.00 C ATOM 465 SG CYS A 26 7.039 -9.055 -10.494 1.00 0.00 S ATOM 0 H CYS A 26 8.469 -8.754 -13.113 1.00 0.00 H new ATOM 0 HA CYS A 26 10.000 -6.883 -11.474 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.348 -7.224 -9.744 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.493 -6.845 -11.227 1.00 0.00 H new ATOM 470 N GLN A 27 10.669 -9.868 -11.655 1.00 0.00 N ATOM 471 CA GLN A 27 11.516 -10.991 -11.241 1.00 0.00 C ATOM 472 C GLN A 27 10.866 -12.054 -10.339 1.00 0.00 C ATOM 473 O GLN A 27 11.538 -12.977 -9.872 1.00 0.00 O ATOM 474 CB GLN A 27 12.832 -10.487 -10.622 1.00 0.00 C ATOM 475 CG GLN A 27 14.144 -10.716 -11.409 1.00 0.00 C ATOM 476 CD GLN A 27 14.779 -9.423 -11.904 1.00 0.00 C ATOM 477 OE1 GLN A 27 15.780 -8.943 -11.389 1.00 0.00 O ATOM 478 NE2 GLN A 27 14.213 -8.809 -12.928 1.00 0.00 N ATOM 0 H GLN A 27 10.441 -9.902 -12.649 1.00 0.00 H new ATOM 0 HA GLN A 27 11.708 -11.522 -12.173 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.730 -9.416 -10.449 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.943 -10.958 -9.645 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.855 -11.242 -10.772 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.940 -11.363 -12.262 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.379 -9.204 -13.362 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.611 -7.940 -13.285 1.00 0.00 H new ATOM 487 N CYS A 28 9.570 -11.979 -10.075 1.00 0.00 N ATOM 488 CA CYS A 28 8.974 -12.925 -9.145 1.00 0.00 C ATOM 489 C CYS A 28 8.774 -14.301 -9.771 1.00 0.00 C ATOM 490 O CYS A 28 8.536 -14.401 -10.964 1.00 0.00 O ATOM 491 CB CYS A 28 7.674 -12.346 -8.620 1.00 0.00 C ATOM 492 SG CYS A 28 6.521 -12.023 -9.974 1.00 0.00 S ATOM 0 H CYS A 28 8.928 -11.296 -10.477 1.00 0.00 H new ATOM 0 HA CYS A 28 9.659 -13.079 -8.311 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.223 -13.039 -7.910 1.00 0.00 H new ATOM 0 HB3 CYS A 28 7.875 -11.421 -8.079 1.00 0.00 H new ATOM 0 HG CYS A 28 6.532 -10.755 -10.260 1.00 0.00 H new ATOM 498 N TRP A 29 8.827 -15.351 -8.968 1.00 0.00 N ATOM 499 CA TRP A 29 8.730 -16.742 -9.381 1.00 0.00 C ATOM 500 C TRP A 29 7.363 -17.371 -9.109 1.00 0.00 C ATOM 501 O TRP A 29 6.739 -17.061 -8.097 1.00 0.00 O ATOM 502 CB TRP A 29 9.863 -17.496 -8.699 1.00 0.00 C ATOM 503 CG TRP A 29 11.229 -17.312 -9.274 1.00 0.00 C ATOM 504 CD1 TRP A 29 12.066 -16.286 -9.003 1.00 0.00 C ATOM 505 CD2 TRP A 29 11.940 -18.167 -10.209 1.00 0.00 C ATOM 506 NE1 TRP A 29 13.264 -16.466 -9.670 1.00 0.00 N ATOM 507 CE2 TRP A 29 13.240 -17.629 -10.404 1.00 0.00 C ATOM 508 CE3 TRP A 29 11.619 -19.345 -10.909 1.00 0.00 C ATOM 509 CZ2 TRP A 29 14.178 -18.252 -11.224 1.00 0.00 C ATOM 510 CZ3 TRP A 29 12.560 -19.959 -11.762 1.00 0.00 C ATOM 511 CH2 TRP A 29 13.845 -19.422 -11.910 1.00 0.00 C ATOM 0 H TRP A 29 8.945 -15.251 -7.960 1.00 0.00 H new ATOM 0 HA TRP A 29 8.829 -16.801 -10.465 1.00 0.00 H new ATOM 0 HB2 TRP A 29 9.891 -17.195 -7.652 1.00 0.00 H new ATOM 0 HB3 TRP A 29 9.625 -18.560 -8.719 1.00 0.00 H new ATOM 0 HD1 TRP A 29 11.834 -15.449 -8.361 1.00 0.00 H new ATOM 0 HE1 TRP A 29 14.056 -15.825 -9.624 1.00 0.00 H new ATOM 0 HE3 TRP A 29 10.640 -19.785 -10.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 15.166 -17.829 -11.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 12.287 -20.851 -12.306 1.00 0.00 H new ATOM 0 HH2 TRP A 29 14.570 -19.907 -12.547 1.00 0.00 H new ATOM 522 N GLN A 30 6.873 -18.252 -9.982 1.00 0.00 N ATOM 523 CA GLN A 30 5.545 -18.852 -9.835 1.00 0.00 C ATOM 524 C GLN A 30 5.563 -20.278 -10.285 1.00 0.00 C ATOM 525 O GLN A 30 6.404 -20.644 -11.096 1.00 0.00 O ATOM 526 CB GLN A 30 4.498 -18.170 -10.724 1.00 0.00 C ATOM 527 CG GLN A 30 4.276 -16.725 -10.360 1.00 0.00 C ATOM 528 CD GLN A 30 5.391 -15.832 -10.839 1.00 0.00 C ATOM 529 OE1 GLN A 30 5.978 -15.994 -11.892 1.00 0.00 O ATOM 530 NE2 GLN A 30 5.736 -14.848 -10.077 1.00 0.00 N ATOM 0 H GLN A 30 7.382 -18.569 -10.807 1.00 0.00 H new ATOM 0 HA GLN A 30 5.291 -18.745 -8.780 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.815 -18.233 -11.765 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.554 -18.709 -10.645 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.333 -16.386 -10.790 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.183 -16.636 -9.278 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.255 -14.697 -9.190 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.489 -14.222 -10.362 1.00 0.00 H new ATOM 539 N HIS A 31 4.581 -21.053 -9.840 1.00 0.00 N ATOM 540 CA HIS A 31 4.378 -22.379 -10.399 1.00 0.00 C ATOM 541 C HIS A 31 3.847 -22.201 -11.803 1.00 0.00 C ATOM 542 O HIS A 31 2.763 -21.643 -11.975 1.00 0.00 O ATOM 543 CB HIS A 31 3.373 -23.197 -9.580 1.00 0.00 C ATOM 544 CG HIS A 31 3.541 -23.053 -8.094 1.00 0.00 C ATOM 545 ND1 HIS A 31 2.610 -22.643 -7.136 1.00 0.00 N ATOM 546 CD2 HIS A 31 4.713 -23.299 -7.468 1.00 0.00 C ATOM 547 CE1 HIS A 31 3.235 -22.641 -5.944 1.00 0.00 C ATOM 548 NE2 HIS A 31 4.506 -23.032 -6.129 1.00 0.00 N ATOM 0 H HIS A 31 3.924 -20.790 -9.106 1.00 0.00 H new ATOM 0 HA HIS A 31 5.324 -22.921 -10.388 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.363 -22.892 -9.853 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.472 -24.249 -9.847 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.631 -23.638 -7.925 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.789 -22.370 -4.998 1.00 0.00 H new ATOM 0 HE2 HIS A 31 5.209 -23.118 -5.395 1.00 0.00 H new ATOM 556 N GLY A 32 4.572 -22.657 -12.813 1.00 0.00 N ATOM 557 CA GLY A 32 4.112 -22.416 -14.179 1.00 0.00 C ATOM 558 C GLY A 32 2.718 -22.949 -14.463 1.00 0.00 C ATOM 559 O GLY A 32 1.895 -22.272 -15.071 1.00 0.00 O ATOM 0 H GLY A 32 5.446 -23.175 -12.725 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.127 -21.343 -14.373 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.814 -22.875 -14.875 1.00 0.00 H new ATOM 563 N VAL A 33 2.413 -24.124 -13.923 1.00 0.00 N ATOM 564 CA VAL A 33 1.108 -24.789 -14.105 1.00 0.00 C ATOM 565 C VAL A 33 -0.065 -23.974 -13.516 1.00 0.00 C ATOM 566 O VAL A 33 -1.195 -24.077 -13.986 1.00 0.00 O ATOM 567 CB VAL A 33 1.195 -26.226 -13.568 1.00 0.00 C ATOM 568 CG1 VAL A 33 1.360 -26.297 -12.042 1.00 0.00 C ATOM 569 CG2 VAL A 33 -0.013 -27.078 -13.967 1.00 0.00 C ATOM 0 H VAL A 33 3.062 -24.653 -13.341 1.00 0.00 H new ATOM 0 HA VAL A 33 0.882 -24.842 -15.170 1.00 0.00 H new ATOM 0 HB VAL A 33 2.093 -26.631 -14.034 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.415 -27.340 -11.730 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.276 -25.783 -11.751 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.507 -25.819 -11.561 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.101 -28.083 -13.561 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.923 -26.627 -13.570 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.078 -27.131 -15.054 1.00 0.00 H new ATOM 579 N CYS A 34 0.214 -23.093 -12.544 1.00 0.00 N ATOM 580 CA CYS A 34 -0.740 -22.111 -11.999 1.00 0.00 C ATOM 581 C CYS A 34 -0.965 -20.912 -12.941 1.00 0.00 C ATOM 582 O CYS A 34 -2.029 -20.292 -12.945 1.00 0.00 O ATOM 583 CB CYS A 34 -0.202 -21.613 -10.670 1.00 0.00 C ATOM 584 SG CYS A 34 -0.196 -22.903 -9.417 1.00 0.00 S ATOM 0 H CYS A 34 1.132 -23.041 -12.103 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.704 -22.606 -11.880 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.812 -21.237 -10.808 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.808 -20.776 -10.325 1.00 0.00 H new ATOM 589 N MET A 35 0.071 -20.576 -13.707 1.00 0.00 N ATOM 590 CA MET A 35 0.173 -19.438 -14.623 1.00 0.00 C ATOM 591 C MET A 35 -0.185 -19.792 -16.089 1.00 0.00 C ATOM 592 O MET A 35 -0.285 -18.900 -16.932 1.00 0.00 O ATOM 593 CB MET A 35 1.613 -18.914 -14.520 1.00 0.00 C ATOM 594 CG MET A 35 2.031 -18.391 -13.141 1.00 0.00 C ATOM 595 SD MET A 35 1.425 -16.714 -12.801 1.00 0.00 S ATOM 596 CE MET A 35 -0.093 -17.029 -11.881 1.00 0.00 C ATOM 0 H MET A 35 0.926 -21.133 -13.705 1.00 0.00 H new ATOM 0 HA MET A 35 -0.554 -18.679 -14.334 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.294 -19.716 -14.806 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.742 -18.112 -15.247 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.657 -19.069 -12.373 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.119 -18.399 -13.071 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.817 -16.242 -12.093 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.507 -17.992 -12.180 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.125 -17.044 -10.813 1.00 0.00 H new ATOM 606 N GLY A 36 -0.386 -21.082 -16.407 1.00 0.00 N ATOM 607 CA GLY A 36 -0.655 -21.614 -17.746 1.00 0.00 C ATOM 608 C GLY A 36 0.584 -21.822 -18.603 1.00 0.00 C ATOM 609 O GLY A 36 0.496 -21.761 -19.832 1.00 0.00 O ATOM 0 H GLY A 36 -0.363 -21.816 -15.699 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.177 -22.566 -17.647 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.330 -20.933 -18.265 1.00 0.00 H new ATOM 613 N LEU A 37 1.734 -22.058 -17.964 1.00 0.00 N ATOM 614 CA LEU A 37 3.004 -22.320 -18.636 1.00 0.00 C ATOM 615 C LEU A 37 3.671 -23.584 -18.058 1.00 0.00 C ATOM 616 O LEU A 37 3.495 -23.946 -16.905 1.00 0.00 O ATOM 617 CB LEU A 37 3.953 -21.096 -18.558 1.00 0.00 C ATOM 618 CG LEU A 37 3.345 -19.676 -18.478 1.00 0.00 C ATOM 619 CD1 LEU A 37 3.804 -18.853 -17.275 1.00 0.00 C ATOM 620 CD2 LEU A 37 3.827 -18.886 -19.670 1.00 0.00 C ATOM 0 H LEU A 37 1.806 -22.072 -16.947 1.00 0.00 H new ATOM 0 HA LEU A 37 2.795 -22.497 -19.691 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.591 -21.230 -17.684 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.601 -21.127 -19.434 1.00 0.00 H new ATOM 0 HG LEU A 37 2.267 -19.829 -18.420 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.327 -17.873 -17.301 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.526 -19.367 -16.355 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.887 -18.731 -17.309 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.409 -17.880 -19.633 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.915 -18.828 -19.652 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.505 -19.379 -20.587 1.00 0.00 H new ATOM 632 N LEU A 38 4.465 -24.259 -18.866 1.00 0.00 N ATOM 633 CA LEU A 38 5.239 -25.458 -18.608 1.00 0.00 C ATOM 634 C LEU A 38 6.662 -25.208 -19.086 1.00 0.00 C ATOM 635 O LEU A 38 6.869 -24.304 -19.894 1.00 0.00 O ATOM 636 CB LEU A 38 4.579 -26.575 -19.421 1.00 0.00 C ATOM 637 CG LEU A 38 3.708 -27.559 -18.638 1.00 0.00 C ATOM 638 CD1 LEU A 38 4.658 -28.583 -18.024 1.00 0.00 C ATOM 639 CD2 LEU A 38 2.787 -26.945 -17.585 1.00 0.00 C ATOM 0 H LEU A 38 4.598 -23.945 -19.827 1.00 0.00 H new ATOM 0 HA LEU A 38 5.270 -25.728 -17.552 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.965 -26.117 -20.197 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.363 -27.139 -19.927 1.00 0.00 H new ATOM 0 HG LEU A 38 3.000 -28.008 -19.335 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.086 -29.313 -17.451 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.205 -29.093 -18.817 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.363 -28.076 -17.365 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.218 -27.735 -17.094 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.385 -26.414 -16.844 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.100 -26.248 -18.065 1.00 0.00 H new ATOM 651 N GLU A 39 7.614 -26.061 -18.714 1.00 0.00 N ATOM 652 CA GLU A 39 8.969 -26.010 -19.266 1.00 0.00 C ATOM 653 C GLU A 39 8.996 -26.145 -20.803 1.00 0.00 C ATOM 654 O GLU A 39 9.907 -25.614 -21.442 1.00 0.00 O ATOM 655 CB GLU A 39 9.864 -27.070 -18.591 1.00 0.00 C ATOM 656 CG GLU A 39 9.312 -28.502 -18.467 1.00 0.00 C ATOM 657 CD GLU A 39 9.095 -29.224 -19.811 1.00 0.00 C ATOM 658 OE1 GLU A 39 10.053 -29.321 -20.618 1.00 0.00 O ATOM 659 OE2 GLU A 39 7.963 -29.704 -20.061 1.00 0.00 O1- ATOM 0 H GLU A 39 7.472 -26.802 -18.027 1.00 0.00 H new ATOM 0 HA GLU A 39 9.370 -25.021 -19.044 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.801 -27.119 -19.145 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.105 -26.716 -17.589 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.999 -29.091 -17.860 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.363 -28.467 -17.931 1.00 0.00 H new ATOM 666 N GLU A 40 7.972 -26.760 -21.409 1.00 0.00 N ATOM 667 CA GLU A 40 7.814 -26.762 -22.878 1.00 0.00 C ATOM 668 C GLU A 40 7.488 -25.377 -23.460 1.00 0.00 C ATOM 669 O GLU A 40 7.979 -25.033 -24.540 1.00 0.00 O ATOM 670 CB GLU A 40 6.769 -27.772 -23.390 1.00 0.00 C ATOM 671 CG GLU A 40 5.405 -27.762 -22.685 1.00 0.00 C ATOM 672 CD GLU A 40 4.267 -28.424 -23.495 1.00 0.00 C ATOM 673 OE1 GLU A 40 4.513 -29.076 -24.540 1.00 0.00 O ATOM 674 OE2 GLU A 40 3.090 -28.300 -23.072 1.00 0.00 O1- ATOM 0 H GLU A 40 7.239 -27.263 -20.910 1.00 0.00 H new ATOM 0 HA GLU A 40 8.797 -27.072 -23.234 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.606 -27.586 -24.452 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.191 -28.773 -23.303 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.500 -28.275 -21.728 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.128 -26.730 -22.468 1.00 0.00 H new ATOM 681 N ASN A 41 6.665 -24.582 -22.768 1.00 0.00 N ATOM 682 CA ASN A 41 6.122 -23.332 -23.310 1.00 0.00 C ATOM 683 C ASN A 41 6.837 -22.052 -22.841 1.00 0.00 C ATOM 684 O ASN A 41 6.399 -20.976 -23.251 1.00 0.00 O ATOM 685 CB ASN A 41 4.628 -23.227 -22.969 1.00 0.00 C ATOM 686 CG ASN A 41 3.681 -24.303 -23.463 1.00 0.00 C ATOM 687 OD1 ASN A 41 3.969 -25.087 -24.358 1.00 0.00 O ATOM 688 ND2 ASN A 41 2.502 -24.348 -22.880 1.00 0.00 N ATOM 0 H ASN A 41 6.357 -24.787 -21.817 1.00 0.00 H new ATOM 0 HA ASN A 41 6.288 -23.389 -24.386 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.541 -23.186 -21.883 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.270 -22.272 -23.354 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.815 -25.042 -23.173 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.276 -23.688 -22.136 1.00 0.00 H new ATOM 695 N VAL A 42 7.900 -22.120 -22.021 1.00 0.00 N ATOM 696 CA VAL A 42 8.503 -20.934 -21.351 1.00 0.00 C ATOM 697 C VAL A 42 8.857 -19.864 -22.389 1.00 0.00 C ATOM 698 O VAL A 42 9.746 -20.080 -23.223 1.00 0.00 O ATOM 699 CB VAL A 42 9.775 -21.283 -20.562 1.00 0.00 C ATOM 700 CG1 VAL A 42 10.481 -20.049 -19.981 1.00 0.00 C ATOM 701 CG2 VAL A 42 9.454 -22.241 -19.439 1.00 0.00 C ATOM 0 H VAL A 42 8.373 -22.996 -21.798 1.00 0.00 H new ATOM 0 HA VAL A 42 7.756 -20.563 -20.650 1.00 0.00 H new ATOM 0 HB VAL A 42 10.456 -21.748 -21.275 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.371 -20.362 -19.436 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.769 -19.379 -20.791 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.805 -19.528 -19.303 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.366 -22.478 -18.891 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.733 -21.781 -18.763 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.031 -23.157 -19.852 1.00 0.00 H new ATOM 711 N PRO A 43 8.156 -18.716 -22.348 1.00 0.00 N ATOM 712 CA PRO A 43 8.410 -17.623 -23.267 1.00 0.00 C ATOM 713 C PRO A 43 9.654 -16.826 -22.851 1.00 0.00 C ATOM 714 O PRO A 43 10.144 -16.920 -21.724 1.00 0.00 O ATOM 715 CB PRO A 43 7.120 -16.793 -23.230 1.00 0.00 C ATOM 716 CG PRO A 43 6.588 -16.985 -21.819 1.00 0.00 C ATOM 717 CD PRO A 43 7.010 -18.416 -21.490 1.00 0.00 C ATOM 0 HA PRO A 43 8.634 -17.957 -24.280 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.317 -15.742 -23.441 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.404 -17.138 -23.975 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.019 -16.266 -21.123 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.506 -16.862 -21.774 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.278 -18.510 -20.438 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.193 -19.114 -21.675 1.00 0.00 H new ATOM 725 N GLU A 44 10.132 -15.963 -23.744 1.00 0.00 N ATOM 726 CA GLU A 44 11.250 -15.064 -23.428 1.00 0.00 C ATOM 727 C GLU A 44 10.762 -13.947 -22.501 1.00 0.00 C ATOM 728 O GLU A 44 11.481 -13.536 -21.590 1.00 0.00 O ATOM 729 CB GLU A 44 11.885 -14.493 -24.712 1.00 0.00 C ATOM 730 CG GLU A 44 13.077 -15.311 -25.247 1.00 0.00 C ATOM 731 CD GLU A 44 14.397 -15.032 -24.494 1.00 0.00 C ATOM 732 OE1 GLU A 44 15.436 -14.802 -25.162 1.00 0.00 O ATOM 733 OE2 GLU A 44 14.418 -15.041 -23.239 1.00 0.00 O1- ATOM 0 H GLU A 44 9.767 -15.864 -24.691 1.00 0.00 H new ATOM 0 HA GLU A 44 12.026 -15.631 -22.914 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.121 -14.436 -25.487 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.217 -13.473 -24.517 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.842 -16.373 -25.173 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.216 -15.088 -26.305 1.00 0.00 H new ATOM 740 N LYS A 45 9.492 -13.547 -22.636 1.00 0.00 N ATOM 741 CA LYS A 45 8.834 -12.582 -21.774 1.00 0.00 C ATOM 742 C LYS A 45 7.465 -13.025 -21.266 1.00 0.00 C ATOM 743 O LYS A 45 6.416 -12.641 -21.787 1.00 0.00 O ATOM 744 CB LYS A 45 8.705 -11.242 -22.499 1.00 0.00 C ATOM 745 CG LYS A 45 10.013 -10.446 -22.660 1.00 0.00 C ATOM 746 CD LYS A 45 9.707 -9.025 -23.160 1.00 0.00 C ATOM 747 CE LYS A 45 10.942 -8.118 -23.298 1.00 0.00 C ATOM 748 NZ LYS A 45 11.695 -7.973 -22.021 1.00 0.00 N1+ ATOM 0 H LYS A 45 8.883 -13.902 -23.373 1.00 0.00 H new ATOM 0 HA LYS A 45 9.468 -12.488 -20.892 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.286 -11.423 -23.489 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.988 -10.624 -21.958 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.539 -10.399 -21.707 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.673 -10.954 -23.364 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.212 -9.093 -24.129 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.002 -8.556 -22.474 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.604 -8.527 -24.061 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.628 -7.133 -23.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.985 -6.982 -21.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.088 -8.256 -21.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.539 -8.580 -22.045 1.00 0.00 H new ATOM 762 N TYR A 46 7.503 -13.835 -20.215 1.00 0.00 N ATOM 763 CA TYR A 46 6.291 -14.130 -19.449 1.00 0.00 C ATOM 764 C TYR A 46 6.092 -12.995 -18.427 1.00 0.00 C ATOM 765 O TYR A 46 6.969 -12.672 -17.622 1.00 0.00 O ATOM 766 CB TYR A 46 6.341 -15.529 -18.792 1.00 0.00 C ATOM 767 CG TYR A 46 5.735 -15.558 -17.419 1.00 0.00 C ATOM 768 CD1 TYR A 46 4.340 -15.568 -17.256 1.00 0.00 C ATOM 769 CD2 TYR A 46 6.594 -15.550 -16.311 1.00 0.00 C ATOM 770 CE1 TYR A 46 3.800 -15.492 -15.958 1.00 0.00 C ATOM 771 CE2 TYR A 46 6.056 -15.523 -15.017 1.00 0.00 C ATOM 772 CZ TYR A 46 4.659 -15.476 -14.850 1.00 0.00 C ATOM 773 OH TYR A 46 4.138 -15.404 -13.611 1.00 0.00 O ATOM 0 H TYR A 46 8.347 -14.296 -19.874 1.00 0.00 H new ATOM 0 HA TYR A 46 5.429 -14.170 -20.115 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.817 -16.242 -19.429 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.378 -15.858 -18.732 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.690 -15.633 -18.116 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.664 -15.565 -16.454 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.730 -15.446 -15.817 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.707 -15.538 -14.156 1.00 0.00 H new ATOM 0 HH TYR A 46 4.833 -15.125 -12.979 1.00 0.00 H new ATOM 783 N THR A 47 4.912 -12.392 -18.482 1.00 0.00 N ATOM 784 CA THR A 47 4.390 -11.433 -17.506 1.00 0.00 C ATOM 785 C THR A 47 3.504 -12.125 -16.471 1.00 0.00 C ATOM 786 O THR A 47 2.653 -12.936 -16.824 1.00 0.00 O ATOM 787 CB THR A 47 3.580 -10.335 -18.205 1.00 0.00 C ATOM 788 OG1 THR A 47 2.908 -10.776 -19.373 1.00 0.00 O ATOM 789 CG2 THR A 47 4.458 -9.143 -18.578 1.00 0.00 C ATOM 0 H THR A 47 4.257 -12.564 -19.245 1.00 0.00 H new ATOM 0 HA THR A 47 5.246 -10.987 -16.999 1.00 0.00 H new ATOM 0 HB THR A 47 2.828 -10.040 -17.473 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.069 -11.216 -19.121 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.851 -8.384 -19.072 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.902 -8.722 -17.676 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.249 -9.471 -19.253 1.00 0.00 H new ATOM 797 N CYS A 48 3.651 -11.752 -15.193 1.00 0.00 N ATOM 798 CA CYS A 48 2.937 -12.378 -14.078 1.00 0.00 C ATOM 799 C CYS A 48 1.677 -11.603 -13.785 1.00 0.00 C ATOM 800 O CYS A 48 1.704 -10.396 -13.892 1.00 0.00 O ATOM 801 CB CYS A 48 3.841 -12.395 -12.822 1.00 0.00 C ATOM 802 SG CYS A 48 3.898 -10.882 -11.791 1.00 0.00 S ATOM 0 H CYS A 48 4.276 -10.999 -14.904 1.00 0.00 H new ATOM 0 HA CYS A 48 2.677 -13.402 -14.347 1.00 0.00 H new ATOM 0 HB2 CYS A 48 3.518 -13.221 -12.188 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.858 -12.619 -13.144 1.00 0.00 H new ATOM 807 N TYR A 49 0.606 -12.225 -13.324 1.00 0.00 N ATOM 808 CA TYR A 49 -0.596 -11.562 -12.824 1.00 0.00 C ATOM 809 C TYR A 49 -0.406 -10.289 -11.955 1.00 0.00 C ATOM 810 O TYR A 49 -1.155 -9.332 -12.115 1.00 0.00 O ATOM 811 CB TYR A 49 -1.375 -12.619 -12.059 1.00 0.00 C ATOM 812 CG TYR A 49 -0.808 -12.927 -10.682 1.00 0.00 C ATOM 813 CD1 TYR A 49 0.438 -13.577 -10.545 1.00 0.00 C ATOM 814 CD2 TYR A 49 -1.524 -12.545 -9.530 1.00 0.00 C ATOM 815 CE1 TYR A 49 0.972 -13.806 -9.266 1.00 0.00 C ATOM 816 CE2 TYR A 49 -0.988 -12.776 -8.248 1.00 0.00 C ATOM 817 CZ TYR A 49 0.276 -13.392 -8.114 1.00 0.00 C ATOM 818 OH TYR A 49 0.827 -13.585 -6.884 1.00 0.00 O ATOM 0 H TYR A 49 0.543 -13.242 -13.284 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.118 -11.164 -13.694 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.408 -12.287 -11.950 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.396 -13.537 -12.646 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.980 -13.898 -11.422 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.490 -12.072 -9.631 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.925 -14.304 -9.165 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.543 -12.483 -7.369 1.00 0.00 H new ATOM 0 HH TYR A 49 0.219 -13.242 -6.196 1.00 0.00 H new ATOM 828 N VAL A 50 0.604 -10.219 -11.078 1.00 0.00 N ATOM 829 CA VAL A 50 0.958 -9.011 -10.307 1.00 0.00 C ATOM 830 C VAL A 50 1.341 -7.833 -11.238 1.00 0.00 C ATOM 831 O VAL A 50 1.061 -6.677 -10.912 1.00 0.00 O ATOM 832 CB VAL A 50 2.014 -9.364 -9.225 1.00 0.00 C ATOM 833 CG1 VAL A 50 3.042 -8.273 -8.945 1.00 0.00 C ATOM 834 CG2 VAL A 50 1.350 -9.770 -7.906 1.00 0.00 C ATOM 0 H VAL A 50 1.212 -11.013 -10.878 1.00 0.00 H new ATOM 0 HA VAL A 50 0.084 -8.648 -9.765 1.00 0.00 H new ATOM 0 HB VAL A 50 2.559 -10.204 -9.656 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.735 -8.615 -8.176 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.594 -8.051 -9.858 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.533 -7.373 -8.601 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.118 -10.010 -7.171 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.740 -8.946 -7.537 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.719 -10.643 -8.070 1.00 0.00 H new ATOM 844 N CYS A 51 1.919 -8.118 -12.415 1.00 0.00 N ATOM 845 CA CYS A 51 2.161 -7.190 -13.512 1.00 0.00 C ATOM 846 C CYS A 51 1.022 -7.202 -14.558 1.00 0.00 C ATOM 847 O CYS A 51 0.377 -6.166 -14.736 1.00 0.00 O ATOM 848 CB CYS A 51 3.528 -7.477 -14.141 1.00 0.00 C ATOM 849 SG CYS A 51 4.914 -7.330 -12.999 1.00 0.00 S ATOM 0 H CYS A 51 2.246 -9.060 -12.631 1.00 0.00 H new ATOM 0 HA CYS A 51 2.173 -6.179 -13.106 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.520 -8.485 -14.556 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.683 -6.791 -14.973 1.00 0.00 H new ATOM 854 N GLN A 52 0.760 -8.323 -15.264 1.00 0.00 N ATOM 855 CA GLN A 52 -0.249 -8.331 -16.338 1.00 0.00 C ATOM 856 C GLN A 52 -1.723 -8.491 -15.921 1.00 0.00 C ATOM 857 O GLN A 52 -2.603 -7.987 -16.625 1.00 0.00 O ATOM 858 CB GLN A 52 0.040 -9.466 -17.327 1.00 0.00 C ATOM 859 CG GLN A 52 0.150 -10.903 -16.789 1.00 0.00 C ATOM 860 CD GLN A 52 -0.353 -11.946 -17.798 1.00 0.00 C ATOM 861 OE1 GLN A 52 0.265 -12.173 -18.829 1.00 0.00 O ATOM 862 NE2 GLN A 52 -1.467 -12.622 -17.582 1.00 0.00 N ATOM 0 H GLN A 52 1.225 -9.218 -15.112 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.149 -7.331 -16.760 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.746 -9.455 -18.082 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.975 -9.231 -17.836 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.189 -11.116 -16.538 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.424 -10.988 -15.866 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.007 -12.457 -16.732 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.787 -13.309 -18.265 1.00 0.00 H new ATOM 871 N ASP A 53 -1.982 -9.203 -14.821 1.00 0.00 N ATOM 872 CA ASP A 53 -3.311 -9.687 -14.375 1.00 0.00 C ATOM 873 C ASP A 53 -3.931 -10.660 -15.414 1.00 0.00 C ATOM 874 O ASP A 53 -3.344 -11.759 -15.590 1.00 0.00 O ATOM 875 CB ASP A 53 -4.250 -8.538 -13.915 1.00 0.00 C ATOM 876 CG ASP A 53 -5.641 -9.004 -13.425 1.00 0.00 C ATOM 877 OD1 ASP A 53 -6.608 -8.206 -13.529 1.00 0.00 O ATOM 878 OD2 ASP A 53 -5.787 -10.150 -12.927 1.00 0.00 O1- ATOM 879 OXT ASP A 53 -4.948 -10.335 -16.073 1.00 0.00 O1- ATOM 0 H ASP A 53 -1.239 -9.477 -14.178 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.166 -10.277 -13.470 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.762 -7.986 -13.112 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.385 -7.842 -14.743 1.00 0.00 H new TER 884 ASP A 53 ATOM 885 N ALA C 1 12.353 -15.423 -19.660 1.00 0.00 N ATOM 886 CA ALA C 1 11.734 -15.794 -18.350 1.00 0.00 C ATOM 887 C ALA C 1 12.591 -16.908 -17.701 1.00 0.00 C ATOM 888 O ALA C 1 12.678 -17.993 -18.276 1.00 0.00 O ATOM 889 CB ALA C 1 10.266 -16.266 -18.528 1.00 0.00 C ATOM 0 H1 ALA C 1 11.771 -14.698 -20.126 1.00 0.00 H new ATOM 0 H2 ALA C 1 13.309 -15.047 -19.498 1.00 0.00 H new ATOM 0 H3 ALA C 1 12.410 -16.265 -20.268 1.00 0.00 H new ATOM 0 HA ALA C 1 11.709 -14.917 -17.704 1.00 0.00 H new ATOM 0 HB1 ALA C 1 9.848 -16.528 -17.556 1.00 0.00 H new ATOM 0 HB2 ALA C 1 9.677 -15.464 -18.973 1.00 0.00 H new ATOM 0 HB3 ALA C 1 10.241 -17.139 -19.181 1.00 0.00 H new ATOM 897 N ARG C 2 13.266 -16.670 -16.561 1.00 0.00 N ATOM 898 CA ARG C 2 14.113 -17.687 -15.865 1.00 0.00 C ATOM 899 C ARG C 2 13.278 -18.914 -15.461 1.00 0.00 C ATOM 900 O ARG C 2 12.090 -18.764 -15.191 1.00 0.00 O ATOM 901 CB ARG C 2 14.801 -17.029 -14.639 1.00 0.00 C ATOM 902 CG ARG C 2 16.240 -17.433 -14.321 1.00 0.00 C ATOM 903 CD ARG C 2 16.817 -16.526 -13.211 1.00 0.00 C ATOM 904 NE ARG C 2 18.135 -17.032 -12.779 1.00 0.00 N ATOM 905 CZ ARG C 2 18.656 -17.072 -11.563 1.00 0.00 C ATOM 906 NH1 ARG C 2 18.047 -16.632 -10.499 1.00 0.00 N1+ ATOM 907 NH2 ARG C 2 19.844 -17.578 -11.391 1.00 0.00 N ATOM 0 H ARG C 2 13.247 -15.767 -16.086 1.00 0.00 H new ATOM 0 HA ARG C 2 14.886 -18.043 -16.546 1.00 0.00 H new ATOM 0 HB2 ARG C 2 14.782 -15.949 -14.785 1.00 0.00 H new ATOM 0 HB3 ARG C 2 14.192 -17.242 -13.760 1.00 0.00 H new ATOM 0 HG2 ARG C 2 16.271 -18.475 -14.002 1.00 0.00 H new ATOM 0 HG3 ARG C 2 16.854 -17.356 -15.219 1.00 0.00 H new ATOM 0 HD2 ARG C 2 16.913 -15.504 -13.578 1.00 0.00 H new ATOM 0 HD3 ARG C 2 16.134 -16.497 -12.362 1.00 0.00 H new ATOM 0 HE ARG C 2 18.727 -17.403 -13.522 1.00 0.00 H new ATOM 0 HH11 ARG C 2 17.114 -16.228 -10.576 1.00 0.00 H new ATOM 0 HH12 ARG C 2 18.503 -16.692 -9.589 1.00 0.00 H new ATOM 0 HH21 ARG C 2 20.365 -17.939 -12.190 1.00 0.00 H new ATOM 0 HH22 ARG C 2 20.253 -17.613 -10.457 1.00 0.00 H new ATOM 921 N THR C 3 13.878 -20.100 -15.384 1.00 0.00 N ATOM 922 CA THR C 3 13.204 -21.366 -15.000 1.00 0.00 C ATOM 923 C THR C 3 14.118 -22.314 -14.220 1.00 0.00 C ATOM 924 O THR C 3 15.342 -22.217 -14.353 1.00 0.00 O ATOM 925 CB THR C 3 12.578 -22.094 -16.200 1.00 0.00 C ATOM 926 OG1 THR C 3 13.339 -21.981 -17.392 1.00 0.00 O ATOM 927 CG2 THR C 3 11.185 -21.532 -16.455 1.00 0.00 C ATOM 0 H THR C 3 14.869 -20.224 -15.589 1.00 0.00 H new ATOM 0 HA THR C 3 12.395 -21.064 -14.334 1.00 0.00 H new ATOM 0 HB THR C 3 12.544 -23.152 -15.940 1.00 0.00 H new ATOM 0 HG1 THR C 3 12.889 -22.466 -18.115 1.00 0.00 H new ATOM 0 HG21 THR C 3 10.736 -22.045 -17.306 1.00 0.00 H new ATOM 0 HG22 THR C 3 10.565 -21.683 -15.572 1.00 0.00 H new ATOM 0 HG23 THR C 3 11.257 -20.466 -16.671 1.00 0.00 H new HETATM 935 N MLY C 4 13.533 -23.208 -13.394 1.00 0.00 N HETATM 936 CA MLY C 4 14.318 -23.998 -12.438 1.00 0.00 C HETATM 937 CB MLY C 4 14.381 -23.222 -11.101 1.00 0.00 C HETATM 938 CG MLY C 4 13.032 -23.081 -10.373 1.00 0.00 C HETATM 939 CD MLY C 4 13.104 -22.009 -9.263 1.00 0.00 C HETATM 940 CE MLY C 4 13.499 -22.587 -7.892 1.00 0.00 C HETATM 941 NZ MLY C 4 13.672 -21.521 -6.854 1.00 0.00 N HETATM 942 CH1 MLY C 4 12.390 -20.815 -6.532 1.00 0.00 C HETATM 943 CH2 MLY C 4 14.215 -22.134 -5.608 1.00 0.00 C HETATM 944 C MLY C 4 13.953 -25.471 -12.228 1.00 0.00 C HETATM 945 O MLY C 4 14.858 -26.243 -11.913 1.00 0.00 O HETATM 0 HH23 MLY C 4 13.521 -22.891 -5.243 1.00 0.00 H new HETATM 0 HH22 MLY C 4 15.178 -22.597 -5.820 1.00 0.00 H new HETATM 0 HH21 MLY C 4 14.343 -21.362 -4.849 1.00 0.00 H new HETATM 0 HH13 MLY C 4 11.998 -20.343 -7.433 1.00 0.00 H new HETATM 0 HH12 MLY C 4 11.664 -21.534 -6.154 1.00 0.00 H new HETATM 0 HH11 MLY C 4 12.574 -20.053 -5.774 1.00 0.00 H new HETATM 0 HG3 MLY C 4 12.255 -22.814 -11.090 1.00 0.00 H new HETATM 0 HG2 MLY C 4 12.749 -24.040 -9.938 1.00 0.00 H new HETATM 0 HE3 MLY C 4 12.734 -23.291 -7.563 1.00 0.00 H new HETATM 0 HE2 MLY C 4 14.428 -23.149 -7.991 1.00 0.00 H new HETATM 0 HD3 MLY C 4 13.826 -21.245 -9.550 1.00 0.00 H new HETATM 0 HD2 MLY C 4 12.135 -21.517 -9.178 1.00 0.00 H new HETATM 0 HB3 MLY C 4 15.085 -23.725 -10.438 1.00 0.00 H new HETATM 0 HB2 MLY C 4 14.780 -22.226 -11.293 1.00 0.00 H new HETATM 0 HA MLY C 4 15.297 -24.103 -12.906 1.00 0.00 H new ATOM 963 N GLN C 5 12.685 -25.884 -12.390 1.00 0.00 N ATOM 964 CA GLN C 5 12.236 -27.281 -12.158 1.00 0.00 C ATOM 965 C GLN C 5 12.599 -27.883 -10.775 1.00 0.00 C ATOM 966 O GLN C 5 12.562 -29.101 -10.588 1.00 0.00 O ATOM 967 CB GLN C 5 12.665 -28.188 -13.333 1.00 0.00 C ATOM 968 CG GLN C 5 11.833 -27.928 -14.594 1.00 0.00 C ATOM 969 CD GLN C 5 12.313 -28.757 -15.782 1.00 0.00 C ATOM 970 OE1 GLN C 5 12.860 -28.245 -16.752 1.00 0.00 O ATOM 971 NE2 GLN C 5 12.134 -30.064 -15.761 1.00 0.00 N ATOM 0 H GLN C 5 11.934 -25.261 -12.687 1.00 0.00 H new ATOM 0 HA GLN C 5 11.148 -27.235 -12.124 1.00 0.00 H new ATOM 0 HB2 GLN C 5 13.719 -28.021 -13.554 1.00 0.00 H new ATOM 0 HB3 GLN C 5 12.562 -29.233 -13.040 1.00 0.00 H new ATOM 0 HG2 GLN C 5 10.787 -28.158 -14.391 1.00 0.00 H new ATOM 0 HG3 GLN C 5 11.883 -26.869 -14.848 1.00 0.00 H new ATOM 0 HE21 GLN C 5 11.680 -30.504 -14.960 1.00 0.00 H new ATOM 0 HE22 GLN C 5 12.449 -30.635 -16.545 1.00 0.00 H new ATOM 980 N THR C 6 12.957 -27.042 -9.790 1.00 0.00 N ATOM 981 CA THR C 6 13.375 -27.445 -8.430 1.00 0.00 C ATOM 982 C THR C 6 14.497 -28.503 -8.471 1.00 0.00 C ATOM 983 O THR C 6 14.350 -29.643 -8.021 1.00 0.00 O ATOM 984 CB THR C 6 12.151 -27.822 -7.569 1.00 0.00 C ATOM 985 OG1 THR C 6 11.266 -26.720 -7.575 1.00 0.00 O ATOM 986 CG2 THR C 6 12.476 -28.090 -6.096 1.00 0.00 C ATOM 0 H THR C 6 12.965 -26.030 -9.919 1.00 0.00 H new ATOM 0 HA THR C 6 13.828 -26.591 -7.926 1.00 0.00 H new ATOM 0 HB THR C 6 11.743 -28.737 -7.999 1.00 0.00 H new ATOM 0 HG1 THR C 6 10.346 -27.040 -7.687 1.00 0.00 H new ATOM 0 HG21 THR C 6 11.561 -28.348 -5.563 1.00 0.00 H new ATOM 0 HG22 THR C 6 13.183 -28.916 -6.024 1.00 0.00 H new ATOM 0 HG23 THR C 6 12.915 -27.197 -5.652 1.00 0.00 H new ATOM 994 N ALA C 7 15.628 -28.133 -9.086 1.00 0.00 N ATOM 995 CA ALA C 7 16.807 -28.995 -9.240 1.00 0.00 C ATOM 996 C ALA C 7 17.456 -29.388 -7.887 1.00 0.00 C ATOM 997 O ALA C 7 17.348 -28.668 -6.889 1.00 0.00 O ATOM 998 CB ALA C 7 17.807 -28.288 -10.166 1.00 0.00 C ATOM 0 H ALA C 7 15.751 -27.208 -9.498 1.00 0.00 H new ATOM 0 HA ALA C 7 16.490 -29.938 -9.684 1.00 0.00 H new ATOM 0 HB1 ALA C 7 18.691 -28.914 -10.293 1.00 0.00 H new ATOM 0 HB2 ALA C 7 17.343 -28.114 -11.137 1.00 0.00 H new ATOM 0 HB3 ALA C 7 18.098 -27.334 -9.727 1.00 0.00 H new ATOM 1004 N ARG C 8 18.163 -30.532 -7.865 1.00 0.00 N ATOM 1005 CA ARG C 8 18.757 -31.130 -6.646 1.00 0.00 C ATOM 1006 C ARG C 8 19.969 -30.381 -6.060 1.00 0.00 C ATOM 1007 O ARG C 8 20.335 -30.628 -4.909 1.00 0.00 O ATOM 1008 CB ARG C 8 19.082 -32.619 -6.901 1.00 0.00 C ATOM 1009 CG ARG C 8 20.246 -32.861 -7.886 1.00 0.00 C ATOM 1010 CD ARG C 8 20.489 -34.358 -8.139 1.00 0.00 C ATOM 1011 NE ARG C 8 21.002 -35.050 -6.937 1.00 0.00 N ATOM 1012 CZ ARG C 8 21.202 -36.350 -6.802 1.00 0.00 C ATOM 1013 NH1 ARG C 8 20.956 -37.197 -7.764 1.00 0.00 N1+ ATOM 1014 NH2 ARG C 8 21.659 -36.831 -5.680 1.00 0.00 N ATOM 0 H ARG C 8 18.343 -31.080 -8.706 1.00 0.00 H new ATOM 0 HA ARG C 8 17.996 -31.036 -5.871 1.00 0.00 H new ATOM 0 HB2 ARG C 8 19.323 -33.093 -5.950 1.00 0.00 H new ATOM 0 HB3 ARG C 8 18.189 -33.112 -7.285 1.00 0.00 H new ATOM 0 HG2 ARG C 8 20.029 -32.365 -8.832 1.00 0.00 H new ATOM 0 HG3 ARG C 8 21.155 -32.409 -7.490 1.00 0.00 H new ATOM 0 HD2 ARG C 8 19.558 -34.827 -8.457 1.00 0.00 H new ATOM 0 HD3 ARG C 8 21.201 -34.476 -8.956 1.00 0.00 H new ATOM 0 HE ARG C 8 21.224 -34.466 -6.131 1.00 0.00 H new ATOM 0 HH11 ARG C 8 20.597 -36.863 -8.658 1.00 0.00 H new ATOM 0 HH12 ARG C 8 21.123 -38.193 -7.622 1.00 0.00 H new ATOM 0 HH21 ARG C 8 21.864 -36.204 -4.902 1.00 0.00 H new ATOM 0 HH22 ARG C 8 21.812 -37.835 -5.580 1.00 0.00 H new ATOM 1028 N LYS C 9 20.608 -29.495 -6.837 1.00 0.00 N ATOM 1029 CA LYS C 9 21.810 -28.736 -6.435 1.00 0.00 C ATOM 1030 C LYS C 9 21.527 -27.800 -5.245 1.00 0.00 C ATOM 1031 O LYS C 9 20.488 -27.138 -5.198 1.00 0.00 O ATOM 1032 CB LYS C 9 22.353 -27.970 -7.659 1.00 0.00 C ATOM 1033 CG LYS C 9 23.707 -27.295 -7.390 1.00 0.00 C ATOM 1034 CD LYS C 9 24.257 -26.628 -8.662 1.00 0.00 C ATOM 1035 CE LYS C 9 25.607 -25.959 -8.364 1.00 0.00 C ATOM 1036 NZ LYS C 9 26.181 -25.314 -9.577 1.00 0.00 N1+ ATOM 0 H LYS C 9 20.300 -29.278 -7.785 1.00 0.00 H new ATOM 0 HA LYS C 9 22.573 -29.434 -6.089 1.00 0.00 H new ATOM 0 HB2 LYS C 9 22.457 -28.660 -8.496 1.00 0.00 H new ATOM 0 HB3 LYS C 9 21.628 -27.213 -7.958 1.00 0.00 H new ATOM 0 HG2 LYS C 9 23.595 -26.548 -6.604 1.00 0.00 H new ATOM 0 HG3 LYS C 9 24.420 -28.035 -7.027 1.00 0.00 H new ATOM 0 HD2 LYS C 9 24.377 -27.372 -9.450 1.00 0.00 H new ATOM 0 HD3 LYS C 9 23.548 -25.886 -9.029 1.00 0.00 H new ATOM 0 HE2 LYS C 9 25.478 -25.212 -7.581 1.00 0.00 H new ATOM 0 HE3 LYS C 9 26.306 -26.703 -7.982 1.00 0.00 H new ATOM 0 HZ1 LYS C 9 27.092 -24.873 -9.338 1.00 0.00 H new ATOM 0 HZ2 LYS C 9 26.327 -26.032 -10.315 1.00 0.00 H new ATOM 0 HZ3 LYS C 9 25.525 -24.586 -9.926 1.00 0.00 H new ATOM 1050 N SER C 10 22.466 -27.737 -4.299 1.00 0.00 N ATOM 1051 CA SER C 10 22.397 -26.904 -3.086 1.00 0.00 C ATOM 1052 C SER C 10 23.804 -26.544 -2.563 1.00 0.00 C ATOM 1053 O SER C 10 24.794 -27.189 -2.933 1.00 0.00 O ATOM 1054 CB SER C 10 21.574 -27.629 -2.011 1.00 0.00 C ATOM 1055 OG SER C 10 21.307 -26.773 -0.909 1.00 0.00 O ATOM 0 H SER C 10 23.327 -28.281 -4.354 1.00 0.00 H new ATOM 0 HA SER C 10 21.904 -25.965 -3.337 1.00 0.00 H new ATOM 0 HB2 SER C 10 20.635 -27.978 -2.441 1.00 0.00 H new ATOM 0 HB3 SER C 10 22.114 -28.511 -1.668 1.00 0.00 H new ATOM 0 HG SER C 10 20.780 -27.257 -0.239 1.00 0.00 H new ATOM 1061 N THR C 11 23.902 -25.502 -1.725 1.00 0.00 N ATOM 1062 CA THR C 11 25.159 -25.008 -1.119 1.00 0.00 C ATOM 1063 C THR C 11 25.691 -25.963 -0.044 1.00 0.00 C ATOM 1064 O THR C 11 26.852 -26.415 -0.162 1.00 0.00 O ATOM 1065 CB THR C 11 24.974 -23.596 -0.543 1.00 0.00 C ATOM 1066 OG1 THR C 11 24.655 -22.705 -1.594 1.00 0.00 O ATOM 1067 CG2 THR C 11 26.234 -23.048 0.131 1.00 0.00 C ATOM 0 H THR C 11 23.087 -24.959 -1.438 1.00 0.00 H new ATOM 0 HA THR C 11 25.902 -24.963 -1.915 1.00 0.00 H new ATOM 0 HB THR C 11 24.183 -23.672 0.203 1.00 0.00 H new ATOM 0 HG1 THR C 11 24.534 -21.802 -1.232 1.00 0.00 H new ATOM 0 HG21 THR C 11 26.035 -22.048 0.516 1.00 0.00 H new ATOM 0 HG22 THR C 11 26.521 -23.703 0.954 1.00 0.00 H new ATOM 0 HG23 THR C 11 27.045 -23.002 -0.596 1.00 0.00 H new HETATM 1075 N NH2 C 12 24.953 -26.261 0.927 1.00 0.00 N TER 1078 NH2 C 12 HETATM 1079 ZN ZN A 800 5.676 -9.458 -12.365 1.00 0.00 ZN HETATM 1080 ZN ZN A 801 0.770 -21.846 -7.565 1.00 0.00 ZN